Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.35 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.35 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | CES1 | P23141 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12023141 | 0.81 | ESR1 (0.34) | ESR1ESR2CA12CA2CA3 | |
| SCHEMBL103831 | 0.77 | NPC1 (0.38) | ESR1ESR2CA12CA2CA3 | |
| SCHEMBL13766203 | 0.76 | KDM4E (0.33) | ESR1ESR2TDP1GLANPC1 | |
| SCHEMBL4301324 | 0.75 | ESR1 (0.58) | ESR1ESR2CA12CA2CA3 | |
| SCHEMBL4310583 | 0.75 | ESR1 (0.46) | ESR1ESR2CA12CA2CA3 | |
| SCHEMBL464991 | 0.73 | ALDH1A1 (0.40) | ESR1ESR2CA12CA2CA3 | |
| SCHEMBL2780223 | 0.70 | ESR1 (0.65) | ESR1ESR2CA12CA2CA3 | |
| SCHEMBL13295274 | 0.70 | NPC1 (0.33) | ESR1ESR2NPC1MEN1KMT2A | |
| SCHEMBL10314165 | 0.70 | ESR1 (0.65) | ESR1ESR2CA12CA2CA3 | |
| SCHEMBL12031840 | 0.70 | KDM4E (0.30) | TDP1GLAALDH1A1KDM4EHPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009027541-A2 | OXYGEN COMPOUNDS OF THE BORON GROUP | CHEMETALL GMBH (DE) | 2009-03-05 | — | — | WO | disclosed |